Class information for:
Level 1: CHIM THEOR PL//GRP CHIM PHYS THEOR STRUCT//JOURNAL OF CHEMICAL THEORY AND COMPUTATION

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
9267 1172 57.1 77%


Bar chart of Publication_year

Last years might be incomplete

Hierarchy of classes
The table includes all classes above and classes immediately below the current class.


Cluster id Level Cluster label #P
5 4 CHEMISTRY, ORGANIC//CHEMISTRY, INORGANIC & NUCLEAR//CHEMISTRY, MULTIDISCIPLINARY 1745167
3 3       PHYSICS, ATOMIC, MOLECULAR & CHEMICAL//JOURNAL OF CHEMICAL PHYSICS//CHEMISTRY, PHYSICAL 183883
937 2             QUANTUM THEORY GRP//PHYSICS, ATOMIC, MOLECULAR & CHEMICAL//INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 10988
9267 1                   CHIM THEOR PL//GRP CHIM PHYS THEOR STRUCT//JOURNAL OF CHEMICAL THEORY AND COMPUTATION 1172

Terms with highest relevance score


rank Term termType Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 CHIM THEOR PL address 196949 4% 17% 44
2 GRP CHIM PHYS THEOR STRUCT address 195378 1% 50% 15
3 JOURNAL OF CHEMICAL THEORY AND COMPUTATION journal 124365 13% 3% 148
4 TD DFT authKW 123110 5% 8% 59
5 UOS PISA address 112519 2% 24% 18
6 TIME DEPENDENT DENSITY FUNCTIONAL THEORY authKW 111015 4% 9% 47
7 CEISAM address 107918 3% 10% 40
8 RANGE SEPARATED HYBRIDS authKW 93042 0% 71% 5
9 LECIME address 89035 2% 17% 20
10 CONSTRICTED VARIATIONAL DENSITY FUNCTIONAL THEORY authKW 78157 0% 100% 3

Web of Science journal categories


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 Physics, Atomic, Molecular & Chemical 35134 67% 0% 790
2 Chemistry, Physical 18528 81% 0% 948
3 Mathematics, Interdisciplinary Applications 145 3% 0% 35
4 Chemistry, Multidisciplinary 135 10% 0% 117
5 Materials Science, Textiles 123 1% 0% 14
6 Spectroscopy 66 3% 0% 32
7 Nanoscience & Nanotechnology 55 3% 0% 39
8 Mathematical & Computational Biology 10 1% 0% 10
9 Computer Science, Interdisciplinary Applications 3 1% 0% 13
10 Chemistry, Applied 2 1% 0% 14

Address terms


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 CHIM THEOR PL 196949 4% 17% 44
2 GRP CHIM PHYS THEOR STRUCT 195378 1% 50% 15
3 UOS PISA 112519 2% 24% 18
4 CEISAM 107918 3% 10% 40
5 LECIME 89035 2% 17% 20
6 PROGRAMA NANOTECNOL 78157 0% 100% 3
7 PRINATEC 78151 1% 50% 6
8 UNITE CHIM PHYS THEOR STRUCT 73370 2% 16% 18
9 UMR 7575 66147 3% 7% 35
10 UMR CNRS 6230 65921 2% 13% 20

Journals


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 JOURNAL OF CHEMICAL THEORY AND COMPUTATION 124365 13% 3% 148
2 JOURNAL OF CHEMICAL PHYSICS 13917 18% 0% 215
3 THEORETICAL CHEMISTRY ACCOUNTS 13546 3% 1% 38
4 JOURNAL OF PHYSICAL CHEMISTRY A 8292 8% 0% 98
5 PHYSICAL CHEMISTRY CHEMICAL PHYSICS 7575 8% 0% 89
6 COMPUTATIONAL AND THEORETICAL CHEMISTRY 7018 2% 1% 25
7 WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE 4915 1% 3% 7
8 CHEMICAL PHYSICS LETTERS 4398 8% 0% 90
9 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 3609 3% 0% 40
10 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 2659 3% 0% 34

Author Key Words


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class		 LCSH search Wikipedia search
1 TD DFT 123110 5% 8% 59 Search TD+DFT Search TD+DFT
2 TIME DEPENDENT DENSITY FUNCTIONAL THEORY 111015 4% 9% 47 Search TIME+DEPENDENT+DENSITY+FUNCTIONAL+THEORY Search TIME+DEPENDENT+DENSITY+FUNCTIONAL+THEORY
3 RANGE SEPARATED HYBRIDS 93042 0% 71% 5 Search RANGE+SEPARATED+HYBRIDS Search RANGE+SEPARATED+HYBRIDS
4 CONSTRICTED VARIATIONAL DENSITY FUNCTIONAL THEORY 78157 0% 100% 3 Search CONSTRICTED+VARIATIONAL+DENSITY+FUNCTIONAL+THEORY Search CONSTRICTED+VARIATIONAL+DENSITY+FUNCTIONAL+THEORY
5 DENSITY BASED INDEXES 78157 0% 100% 3 Search DENSITY+BASED+INDEXES Search DENSITY+BASED+INDEXES
6 FRANCK CONDON INTEGRAL 78157 0% 100% 3 Search FRANCK+CONDON+INTEGRAL Search FRANCK+CONDON+INTEGRAL
7 EXCITED STATES 58084 5% 4% 56 Search EXCITED+STATES Search EXCITED+STATES
8 TDDFT 54289 3% 6% 33 Search TDDFT Search TDDFT
9 BENZENE EXCIMER 52105 0% 100% 2 Search BENZENE+EXCIMER Search BENZENE+EXCIMER
10 GAMMA SOLANINE 52105 0% 100% 2 Search GAMMA+SOLANINE Search GAMMA+SOLANINE

Core articles
The table includes core articles in the class. The following variables is taken into account for the relevance score of an article in a cluster c:
(1) Number of references referring to publications in the class.
(2) Share of total number of active references referring to publications in the class.
(3) Age of the article. New articles get higher score than old articles.
(4) Citation rate, normalized to year.


Rank Reference # ref. in
cl.		 Shr. of ref. in
cl.		 Citations
1 JACQUEMIN, D , LAURENT, AD , (2013) TD-DFT BENCHMARKS: A REVIEW.INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. VOL. 113. ISSUE 17. P. 2019 -2039 156 54% 153
2 SANTORO, F , JACQUEMIN, D , (2016) GOING BEYOND THE VERTICAL APPROXIMATION WITH TIME-DEPENDENT DENSITY FUNCTIONAL THEORY.WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE. VOL. 6. ISSUE 5. P. 460 -486 96 59% 6
3 CHARAF-EDDIN, A , PLANCHAT, A , MENNUCCI, B , ADAMO, C , JACQUEMIN, D , (2013) CHOOSING A FUNCTIONAL FOR COMPUTING ABSORPTION AND FLUORESCENCE BAND SHAPES WITH TD-DFT.JOURNAL OF CHEMICAL THEORY AND COMPUTATION. VOL. 9. ISSUE 6. P. 2749 -2760 81 63% 74
4 LAURENT, AD , ADAMO, C , JACQUEMIN, D , (2014) DYE CHEMISTRY WITH TIME-DEPENDENT DENSITY FUNCTIONAL THEORY.PHYSICAL CHEMISTRY CHEMICAL PHYSICS. VOL. 16. ISSUE 28. P. 14334 -14356 156 32% 40
5 JACQUEMIN, D , WATHELET, V , PERPETE, EA , ADAMO, C , (2009) EXTENSIVE TD-DFT BENCHMARK: SINGLET-EXCITED STATES OF ORGANIC MOLECULES.JOURNAL OF CHEMICAL THEORY AND COMPUTATION. VOL. 5. ISSUE 9. P. 2420 -2435 63 58% 406
6 ADAMO, C , JACQUEMIN, D , (2013) THE CALCULATIONS OF EXCITED-STATE PROPERTIES WITH TIME-DEPENDENT DENSITY FUNCTIONAL THEORY.CHEMICAL SOCIETY REVIEWS. VOL. 42. ISSUE 3. P. 845-856 39 75% 217
7 JACQUEMIN, D , ADAMO, C , (2016) COMPUTATIONAL MOLECULAR ELECTRONIC SPECTROSCOPY WITH TD-DFT.DENSITY-FUNCTIONAL METHODS FOR EXCITED STATES. VOL. 368. ISSUE . P. 347 -375 73 48% 8
8 MOORE, B , SUN, HT , GOVIND, N , KOWALSKI, K , AUTSCHBACH, J , (2015) CHARGE-TRANSFER VERSUS CHARGE-TRANSFER-LIKE EXCITATIONS REVISITED.JOURNAL OF CHEMICAL THEORY AND COMPUTATION. VOL. 11. ISSUE 7. P. 3305 -3320 54 69% 10
9 MOORE, B , CHARAF-EDDIN, A , PLANCHAT, A , ADAMO, C , AUTSCHBACH, J , JACQUEMIN, D , (2014) ELECTRONIC BAND SHAPES CALCULATED WITH OPTIMALLY TUNED RANGE-SEPARATED HYBRID FUNCTIONALS.JOURNAL OF CHEMICAL THEORY AND COMPUTATION. VOL. 10. ISSUE 10. P. 4599 -4608 54 71% 12
10 JACQUEMIN, D , PERPETE, EA , CIOFINI, I , ADAMO, C , (2011) ASSESSMENT OF THE OMEGA B97 FAMILY FOR EXCITED-STATE CALCULATIONS.THEORETICAL CHEMISTRY ACCOUNTS. VOL. 128. ISSUE 1. P. 127 -136 47 71% 64

Classes with closest relation at Level 1


Rank Class id link
1 15672 NANOBIO SPECT GRP//LISE MEITNER MINERVA QUANTUM CHEM//ETSF SCI DEV
2 7776 POLARIZABLE CONTINUUM MODEL//SOLVATION ANALYSIS//POLARIZABLE EMBEDDING
3 969 QUANTUM THEORY GRP//OPTIMIZED EFFECTIVE POTENTIAL//INHOMOGENEOUS ELECTRON LIQUID
4 10836 BIO NANOSYST SCI//DNA PHOTOPHYSICS//DNA PHOTOCHEMISTRY
5 35815 DIAMAGNETIC MOLECULES//ELE ON QUAN PHYS LASERS//FLUORESCENCE PROTEIN CHROMOPHORES
6 3082 JOURNAL OF CHEMICAL THEORY AND COMPUTATION//COMPUTAT MOL SCI TECHNOL//MULLIKEN THEORET CHEM
7 5181 COMPUTAT CHEM//COMPUTAT QUANTUM CHEM//METAL METAL BONDING
8 30255 CONSERVACAO TAURO REQUIMTE//1 3 BIS45H OXO 3 PHENYLIMIDAZO1 5 AQUINOXALIN 1 YLBENZENE//BAEYER DREWSON INDIGO SYNTHESIS
9 8856 GW APPROXIMATION//SOLIDES IRRADIES//L SIM SP2M
10 24446 SINGLET FISSION//ENERGY FRONTIER EXCITON//MULTIPLE CARRIER GENERATION

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